(E)-3-[3,5-di(nonadecoxy)-4-propylsulfanyl-phenyl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[3,5-di(nonadecoxy)-4-propylsulfanyl-phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[3,5-di(nonadecoxy)-4-propylsulfanyl-phenyl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,5-di(nonadecoxy)-4-(propylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[3,5-di(nonadecoxy)-4-propylsulfanylphenyl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,5-di(nonadecoxy)-4-(propylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C56H94O3S MolecularWeight: 847.40876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1SCCC)OCCCCCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1SCCC)OCCCCCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C56H94O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-46-58-54-49-51(44-45-53(57)52-42-38-37-39-43-52)50-55(56(54)60-48-6-3)59-47-41-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h37-39,42-45,49-50H,4-36,40-41,46-48H2,1-3H3/b45-44+